[6-(1-cyclopropylethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(1-cyclopropylethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(1-cyclopropylethylamino)-3-pyridyl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(1-cyclopropylethylamino)-3-pyridinyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(1-cyclopropylethylamino)pyridin-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(1-cyclopropylethylamino)-3-pyridyl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C20H26N6O MolecularWeight: 366.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C1CC1)NC2=NC=C(C=C2)C(=O)N3CCCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N6O/c1-15(16-4-5-16)24-18-7-6-17(14-23-18)19(27)25-10-3-11-26(13-12-25)20-21-8-2-9-22-20/h2,6-9,14-16H,3-5,10-13H2,1H3,(H,23,24)